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Drug-Target Interaction

Drug

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PubChem ID:5625
Structure:
Synonyms:
(1-(5-METHANSULPHONAMIDO-1H-INDOL-2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE
1-(3-((1-Methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulfonyl)amino)-1H-
1-(3-((1-Methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)piperazine
1-(5-Methanesulphonamido)-1H-indol-2-yl-carbonyl)-4-[3-(isopropylamino)-2-pyridinyl]piperazine
136817-59-9
147221-93-0
147221-93-0 (MESYLATE SALT)
2-(4-(5-Methanesulfonamido-1H-indol-2-ylcarbonyl)-1-piperazinyl)-N-(1-methylethyl)-3-pyridinamine
AIDS-005059
AIDS-086776
AIDS005059
AIDS086776
BHAP der
BHAP-U 90152
C06941
C22H28N6O3S
CHEBI:119573
DB00705
Delavirdine
Delavirdine (*Mesylate salt*)
Delavirdine (INN)
Delavirdine [INN]
Delavirdine(U-90152) & .a.IFN
DLV
LS-172972
N-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
N-{2-[(4-{3-[(1-methylethyl)amino]pyridin-2-yl}piperazin-1-yl)carbonyl]-1H-indol-5-yl}methanesulfonamide
NCGC00168776-01
Piperazine, 1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)-
Piperazine, 1-[3-[(1-methylethyl)amino]-2-pyridinyl]-4-[[5-[(methylsulfonyl)amino]-1H-indol-2-yl]carbonyl]-
PNU-90152-T
Rescriptor
Rescriptor (TM)
SPP
U 90152
U-90152
U-90152S
U90152S (*Mesylate salt*)
ZINC18516586
ATC-Codes:
Side-Effects:
Side-EffectFrequency
rash0.107742466
hemolytic anemia0.0010
hepatic failure0.0010
stevens - johnson syndrome0.0010
rhabdomyolysis0.0010
acute kidney failure0.0010
erythema multiforme0.0010
anorexia0
neuropathy0
colitis0
dysphagia0
pancytopenia0
hyperkalemia0
palpitations0
tinnitus0
peripheral edema0
migraine0
muscle cramps0
hypertriglyceridemia0
toxic epidermal necrolysis0
amnesia0
rhinitis0
angioedema0
sebaceous cyst0
abdominal cramps0
somnolence0
polyuria0
petechiae0
fungal dermatitis0
ulcerative stomatitis0
heart failure0
hematuria0
folliculitis0
agitation0
cardiomyopathy0
weakness0
constipation0
stomatitis0
dry skin0
nervousness0
dyspepsia0
dermatitis0
exfoliative dermatitis0
influenza0
increased sweating0
diverticulitis0
enteritis0
ulcer0
eructation0
tachycardia0
euphoria0
abscess0
myalgia0
tenosynovitis0
verruca0
dry eyes0
peripheral vascular disorder0
anxiety0
vomiting0
arthralgia0
upper respiratory tract infection0
hallucinations0
emotional lability0
depressive symptoms0
cognitive dysfunction0
manic0
headache0
leg cramps0
eosinophilia0
arthritis0
hematospermia0
insomnia0
gastritis0
hepatitis0
thrombocytopenia0
toothache0
dental abscess0
amenorrhea0
otitis media0
proteinuria0
neutropenia0
amylase increased0
abdominal distention0
neck rigidity0
tetany0
postural hypotension0
tuberculosis0
fecal incontinence0
testicle pain0
dyspnea0
abdominal pain0
pancreatitis0
hypophosphatemia0
gum hemorrhage0
gastroesophageal reflux0
sialadenitis0
chest pain0
gastroenteritis0
photophobia0
jaundice0
anemia0
ecchymosis0
pain0
decreased libido0
hyponatremia0
hiccup0
bradycardia0
conjunctivitis0
alopecia0
syncope0
nausea0
metrorrhagia0
dry mouth0
blepharitis0
epididymitis0
epistaxis0
fever0
bilirubinemia0
diplopia0
ear pain0
back pain0
erythema0
kidney pain0
esophagitis0
impotence0
urticaria0
bone pain0
pruritus0
hyperuricemia0
hypertension0
muscle weakness0
urinary tract infection0
confusion0
lymphadenopathy0
paresthesia0
weight gain0
gastrointestinal hemorrhage0
flank pain0
bronchitis0
skin nodule0
nystagmus0
diarrhea0
vertigo0
asthenia0
breast enlargement0
moniliasis0
paralysis0
allergic reaction0
malaise0
glossitis0
vaginal moniliasis0
viral infection0
tremor0
herpes zoster0
hepatomegaly0
nocturia0
fatigue0
purpura0
chills0
blurred vision0
seborrhea0
sinusitis0
pneumonia0
gingivitis0
leukopenia0
cough0
flatulence0
hyperesthesia0
pharyngitis0
hypocalcemia0
leukocytoclastic vasculitis0
dizziness0
nightmares0
edema0
nail disorder0
hyperglycemia0
duodenitis0

Target

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Uniprot ID:CP2CJ_HUMAN
Synonyms:
(R)-limonene 6-monooxygenase
(S)-limonene 6-monooxygenase
(S)-limonene 7-monooxygenase
CYPIIC17
CYPIIC19
Cytochrome P450 2C19
Mephenytoin 4-hydroxylase
P450-11A
P450-254C
EC-Numbers:1.14.13.48
1.14.13.49
1.14.13.80
Organism:Homo sapiens
Human
PDB IDs:-

Binding Affinities:

Ki: Kd:Ic 50:Ec50/Ic50:
----
----

References:

11124228
Interaction of delavirdine with human liver microsomal cytochrome P450: inhibition of CYP2C9, CYP2C19, and CYP2D6.. R L Voorman; N A Payne; L C Wienkers; M J Hauer; P E Sanders (2001) Drug metabolism and disposition: the biological fate of chemicals display abstract
Delavirdine, a non-nucleoside inhibitor of HIV-1 reverse transcriptase, is metabolized primarily through desalkylation catalyzed by CYP3A4 and CYP2D6 and by pyridine hydroxylation catalyzed by CYP3A4. It is also an irreversible inhibitor of CYP3A4. The interaction of delavirdine with CYP2C9 was examined with pooled human liver microsomes using diclofenac 4'-hydroxylation as a reporter of CYP2C9 catalytic activity. As delavirdine concentration was increased from 0 to 100 microM, the K(M) for diclofenac metabolism rose from 4.5+/-0.5 to 21+/-6 microM, and V(max) declined from 4.2+/-0.1 to 0.54+/-0.08 nmol/min/mg of protein, characteristic of mixed-type inhibition. Nonlinear regression analysis revealed an apparent K(i) of 2.6+/-0.4 microM. There was no evidence for bioactivation as prerequisite to inhibition of CYP2C9. Desalkyl delavirdine, the major circulating metabolite of delavirdine, had no apparent effect on microsomal CYP2C9 activity at concentrations up to 20 microM. Several analogs of delavirdine showed similar inhibition of CYP2C9. Delavirdine significantly inhibited cDNA-expressed CYP2C19-catalyzed (S)-mephenytoin 4'-hydroxylation in a noncompetitive manner, with an apparent K(i) of 24+/-3 microM. Delavirdine at concentrations up to 100 microM did not inhibit the activity of CYP1A2 or -2E1. Delavirdine competitively inhibited recombinant CYP2D6 activity with a K(i) of 12.8+/-1.8 microM, similar to the observed K(M) for delavirdine desalkylation. These results, along with previously reported experiments, indicate that delavirdine can partially inhibit CYP2C9, -2C19, -2D6, and -3A4, although the degree of inhibition in vivo would be subject to a variety of additional factors.
11225565